SCHEMBL28229192

SCHEMBL28229192

N#Cc1cnccc1C(=O)O.NNC=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 15/20 0.46
KDM6B O15054 7/20 0.46
KDM4D Q6B0I6 4/20 0.46
KDM4E B2RXH2 3/20 0.46
KDM4A O75164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC22A12 Q96S37 3/20 0.42
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29952392 0.87 KDM4C (0.53) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL2848389 0.87 KDM4C (0.53) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL3284891 0.76 TDP1 (0.50) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL29955774 0.74 KDM4C (0.48) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL4619119 0.74 KDM4C (0.48) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL10639037 0.73 HIPK2 (0.40) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL13320901 0.73 MAPT (0.44) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL116060 0.72 KDM4C (0.55) KDM4CKDM6BKDM4DKDM4EKDM4A
SCHEMBL29467363 0.72 ALDH1A1 (0.58) KDM4CKDM4EALDH1A1KMT2ATDP1
SCHEMBL2847922 0.72 ALDH1A1 (0.58) KDM4CKDM4EALDH1A1KMT2ATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250183-A A kind of preparation method of the Topiroxostat of high-purity 北京诚济制药有限公司 2018-07-06 CN disclosed